(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide

C25H16ClN3O2S — CID 56969930

IUPAC(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide
SMILESN#C/C(C(=O)Nc1ccc(Cl)cc1)=c1/s/c(=C\c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C25H16ClN3O2S/c26-18-11-13-19(14-12-18)28-23(30)21(16-27)25-29(20-9-5-2-6-10-20)24(31)22(32-25)15-17-7-3-1-4-8-17/h1-15H,(H,28,30)/b22-15-,25-21-
InChIKeyMLOPEMRFFVAMHL-DZLBOJMASA-N
MW457.94 g/mol
LogP3.69
Rot. Bonds4

About (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide

(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide (PubChem CID 56969930) has the molecular formula C25H16ClN3O2S and a molecular weight of 457.94 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide
PubChem CID56969930
Molecular FormulaC25H16ClN3O2S
Molecular Weight457.94 g/mol
Exact Mass457.07
IUPAC Name(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide
SMILESN#C/C(C(=O)Nc1ccc(Cl)cc1)=c1/s/c(=C\c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C25H16ClN3O2S/c26-18-11-13-19(14-12-18)28-23(30)21(16-27)25-29(20-9-5-2-6-10-20)24(31)22(32-25)15-17-7-3-1-4-8-17/h1-15H,(H,28,30)/b22-15-,25-21-
InChIKeyMLOPEMRFFVAMHL-DZLBOJMASA-N
XLogP3.69
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 56969931
N-(4-chlorophenyl)-2-cyano-2-[5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 3831179
2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 3542035
2-(5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(4-ethoxyphenyl)acetamide
CID 3816595
(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 56969722
2-[5-[(3-bromophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide
CID 3779709
2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide
CID 3636395
2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 3880899
2-cyano-2-[5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 1423936
methyl 4-[[2-[1-cyano-2-(2,4-dichloroanilino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 4676891
2-cyano-2-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-fluorophenyl)acetamide
CID 3846846
2-cyano-N-(3,4-dimethylphenyl)-2-[5-[(4-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 3954301

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide?
The IUPAC name of (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide (CID 56969930) is (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide.
What is the SMILES notation for (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide?
The canonical SMILES for (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide is N#C/C(C(=O)Nc1ccc(Cl)cc1)=c1/s/c(=C\c2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide?
The InChIKey is MLOPEMRFFVAMHL-DZLBOJMASA-N. The full InChI is InChI=1S/C25H16ClN3O2S/c26-18-11-13-19(14-12-18)28-23(30)21(16-27)25-29(20-9-5-2-6-10-20)24(31)22(32-25)15-17-7-3-1-4-8-17/h1-15H,(H,28,30)/b22-15-,25-21-.
What are the key properties of (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide?
(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide has a molecular weight of 457.94 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide is sourced from PubChem (CID 56969930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).